N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide

C14H22N2O4S — CID 113147778

IUPACN-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-10(2)16(21(5,18)19)9-14(17)15-12-8-11(3)6-7-13(12)20-4/h6-8,10H,9H2,1-5H3,(H,15,17)
InChIKeySIRGBORLJQMOBE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.61
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 113147778) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID113147778
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-10(2)16(21(5,18)19)9-14(17)15-12-8-11(3)6-7-13(12)20-4/h6-8,10H,9H2,1-5H3,(H,15,17)
InChIKeySIRGBORLJQMOBE-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147585
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide (CID 113147778) is N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide is COc1ccc(C)cc1NC(=O)CN(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is SIRGBORLJQMOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)16(21(5,18)19)9-14(17)15-12-8-11(3)6-7-13(12)20-4/h6-8,10H,9H2,1-5H3,(H,15,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 113147778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).